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7HG4

PanDDA analysis group deposition -- Crystal structure of HRP-2 PWWP domain in complex with Z1696844792

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I04-1
Synchrotron siteDiamond
BeamlineI04-1
Temperature [K]100
Detector technologyPIXEL
Collection date2021-05-19
DetectorDECTRIS EIGER2 XE 9M
Wavelength(s)0.918076
Spacegroup nameP 21 21 21
Unit cell lengths41.700, 42.290, 160.110
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution40.920 - 1.570
R-factor0.20756
Rwork0.206
R-free0.24360
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.009
RMSD bond angle1.929
Data reduction softwarexia2
Data scaling softwareAimless
Phasing softwareREFMAC
Refinement softwareREFMAC (5.8.0425)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]53.3701.610
High resolution limit [Å]1.5701.570
Rmerge0.0611.627
Rmeas0.0671.806
Rpim0.0270.776
Total number of observations25093915680
Number of reflections406202943
<I/σ(I)>12.30.9
Completeness [%]100.0
Redundancy6.25.3
CC(1/2)0.9990.373
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP4.627728% PEG MME 2000; 0.15 M ammonium sulfate; 0.1 M sodium acetate pH 4.6

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